SCHEMBL13863980

SCHEMBL13863980

CC=Cc1ccc(C=Cc2nnc(C)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.51
▸ CYP1A2 P05177 3/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HPGD P15428 6/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ CASP3 P42574 2/20 0.44
▸ SENP8 Q96LD8 2/20 0.44
▸ SENP7 Q9BQF6 2/20 0.44
▸ SENP6 Q9GZR1 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12918717 0.87 KDM4E (0.67) KDM4ECYP1A2CYP2C9CYP3A4MAPT
SCHEMBL9003171 0.85 HPGD (0.59) KDM4ECYP1A2CYP2C9CYP3A4MAPT
SCHEMBL27701403 0.83 HPGD (0.61) KDM4ECYP1A2CYP2C9CYP3A4MAPT
SCHEMBL16117354 0.81 RELA (0.55) KDM4ECYP1A2CYP2C9CYP3A4MAPT
SCHEMBL14819865 0.79 ESR1 (0.38) KDM4ECYP1A2CYP2C9CYP3A4MAPT
SCHEMBL14874539 0.77 METAP2 (0.53) KDM4ECYP1A2CYP2C9CYP3A4MAPT
SCHEMBL14874538 0.77 METAP2 (0.53) KDM4ECYP1A2CYP2C9CYP3A4MAPT
SCHEMBL13578475 0.71 KDM4E (0.37) KDM4ECYP3A4MAPTHPGDSMN1; SMN2
SCHEMBL333123 0.69 CYP3A4 (0.65) KDM4ECYP3A4ALDH1A1LMNATP53
SCHEMBL9461723 0.69 CYP3A4 (0.65) KDM4ECYP3A4ALDH1A1LMNATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094763-B1 POLYMERS AND FIBERS FORMED THEREFROM DU PONT (US) 2013-03-27 — — EP disclosed
US-7528217-B2 Polymers and fibers formed therefrom E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-05 — — US disclosed
US-7528217-B2 Polymers and fibers formed therefrom E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-05 — — US disclosed
US-20080085992-A1 Polymers and fibers formed therefrom DUPONT SAFETY & CONSTRUCTION, INC. 2008-04-10 — — US disclosed
US-20080085992-A1 Polymers and fibers formed therefrom DUPONT SAFETY & CONSTRUCTION, INC. 2008-04-10 — — US disclosed
US-20080014440-A1 Polyoxadiazole composite fibers E. I. DU PONT DE NEMOURS AND COMPANY 2008-01-17 — — US disclosed
US-20080014440-A1 Polyoxadiazole composite fibers E. I. DU PONT DE NEMOURS AND COMPANY 2008-01-17 — — US disclosed
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